Geometry & MOs

Info

ID:

215023

PubChem CID:

85084013

Reduced:

O3N5C41H59 (1)

Stoich.:

A3B5C41D59 (1)

Weight, g/mol:

613.238827

ΔHf, kcal/mol:

-82.98

Dipole, Da:

9.32

IP(EA), eV:

 -8.48(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[[2-[(1-benzylpyrrolidine-2-carbonyl)amino]phenyl]-phenylmethylidene]amino]-3-[4-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=NC=C1)CN2CCC(CC2)N(CCCCCCCCCN3CCC(C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C(=O)N)CCO

DOS

IR

Vibrations