Geometry & MOs

Info

ID:

315700

PubChem CID:

126628587

Reduced:

N6O7C30H34 (1)

Stoich.:

A6B7C30D34 (1)

Weight, g/mol:

491.242021

ΔHf, kcal/mol:

-193.01

Dipole, Da:

9.51

IP(EA), eV:

 -8.48(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3R)-5-[[2-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoyl]amino]-3-propyl-3H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CN1C(=CC=C1NC(=O)CCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC)C(=O)NC5=CC=C(N5C)C(=O)OC

DOS

IR

Vibrations