Geometry & MOs

Info

ID:

193603

PubChem CID:

78412296

Reduced:

N5O6C34H45 (1)

Stoich.:

A5B6C34D45 (1)

Weight, g/mol:

617.321334

ΔHf, kcal/mol:

-242.61

Dipole, Da:

6.17

IP(EA), eV:

 -9.3(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[[7-amino-1-(2,5-dihydropyrrol-1-yl)-1,7-dioxohept-2-en-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)N)C=CC(=O)N2CCCC2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations