Geometry & MOs

Info

ID:	436682
PubChem CID:	135207458
Reduced:	N4O4C9H16 (1)
Stoich.:	A4B4C9D16 (1)
Weight, g/mol:	821.446946
ΔH_f, kcal/mol:	-103.48
Dipole, Da:	3.55
IP(EA), eV:	-9.98(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[2-[2-[4-[2-[[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]carbamoylamino]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide

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

C1CN(C[C@@H]1OCCOCCN=[N+]=[N-])C(=O)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

C1CN(C[C@@H]1OCCOCCN=[N+]=[N-])C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):