Geometry & MOs

Info

ID:	336668
PubChem CID:	127255675
Reduced:	BrNO5C8H18 (1)
Stoich.:	ABC5D8E18 (1)
Weight, g/mol:	600.278673
ΔH_f, kcal/mol:	-250.75
Dipole, Da:	2.96
IP(EA), eV:	-9.63(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate;hydrochloride

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]1[C@H]([C@H]([C@@H]([C@@H](O1)OCCN)O)O)O.Br

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]1[C@H]([C@H]([C@@H]([C@@H](O1)OCCN)O)O)O.Br

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):