Geometry & MOs

Info

ID:

179019

PubChem CID:

76420557

Reduced:

NO2C17H24 (2)

Stoich.:

AB2C17D24 (2)

Weight, g/mol:

924.477728

ΔHf, kcal/mol:

-170.05

Dipole, Da:

6.69

IP(EA), eV:

 -8.55(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[3-carboxy-2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)COC(=O)N6CCNCC6)C)C)C)C)O

DOS

IR

Vibrations