Geometry & MOs

Info

ID:

180351

PubChem CID:

76620085

Reduced:

N11O12C38H71 (1)

Stoich.:

A11B12C38D71 (1)

Weight, g/mol:

1229.629203

ΔHf, kcal/mol:

-608.25

Dipole, Da:

4.16

IP(EA), eV:

 -9.6(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-hydroxy-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CO)C(=O)NC(CO)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C(C(C)C)O)N

DOS

IR

Vibrations