Geometry & MOs

Info

ID:	191692
PubChem CID:	78178290
Reduced:	N3O4C14H23 (1)
Stoich.:	A3B4C14D23 (1)
Weight, g/mol:	644.318314
ΔH_f, kcal/mol:	-166.2
Dipole, Da:	4.1
IP(EA), eV:	-8.98(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[2-amino-3-[4-[2-amino-3-(1H-imidazol-5-yl)propanoyl]phenyl]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)CNCCCCC(C(=O)O)N)CO

DOS

IR

Vibrations