Geometry & MOs

Info

ID:

168754

PubChem CID:

75014504

Reduced:

NO4C27H35 (1)

Stoich.:

AB4C27D35 (1)

Weight, g/mol:

1447.720791

ΔHf, kcal/mol:

-172.13

Dipole, Da:

6.59

IP(EA), eV:

 -8.33(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-aminophenyl)propanoyl]amino]-3-(4-aminophenyl)propanoyl]-methylamino]-4-methylpentanoyl]amino]-6-(propan-2-ylamino)hexanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2OC(=O)C4=CN(C=CC4)CCCO)CCC5=C3C=CC(=C5)O

DOS

IR

Vibrations