Geometry & MOs

Info

ID:

184590

PubChem CID:

77180255

Reduced:

N2O4C17H24 (1)

Stoich.:

A2B4C17D24 (1)

Weight, g/mol:

600.277027

ΔHf, kcal/mol:

-173.76

Dipole, Da:

3.19

IP(EA), eV:

 -9.39(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-hydroxy-3-phenyl-1-(4-phenylmethoxypyrrolidin-2-yl)propan-2-yl]-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexa-3,5-diene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1(N(C(C(O1)C2CC(CN2)O)CC3=CC=CC=C3)C(=O)O)C

DOS

IR

Vibrations