Geometry & MOs

Info

ID:	84528
PubChem CID:	49867301
Reduced:	FN3O5C15H16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	776.275231
ΔH_f, kcal/mol:	-201.9
Dipole, Da:	7.88
IP(EA), eV:	-9.21(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-7-[[(1S)-1-carboxy-4-[[(1R)-1-carboxy-4-[2-[4-[[5-(formamidomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-7-oxoheptane-1,3,4-tricarboxylic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H]([C@@H](C1=N/C(=C\C2=CC(=C(C=C2)O)F)/C(=O)N1CC(=O)O)N)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H]([C@@H](C1=N/C(=C\C2=CC(=C(C=C2)O)F)/C(=O)N1CC(=O)O)N)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):