Geometry & MOs

Info

ID:

170382

PubChem CID:

75225389

Reduced:

O10N12C35H60 (1)

Stoich.:

A10B12C35D60 (1)

Weight, g/mol:

804.460622

ΔHf, kcal/mol:

-425.61

Dipole, Da:

6.79

IP(EA), eV:

 -9.48(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[2-[[2-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCO)NC(=O)C

DOS

IR

Vibrations