Geometry & MOs

Info

ID:

184996

PubChem CID:

77239175

Reduced:

ClNO2C15H16 (2)

Stoich.:

ABC2D15E16 (2)

Weight, g/mol:

591.280316

ΔHf, kcal/mol:

-118.09

Dipole, Da:

3.73

IP(EA), eV:

 -9.15(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-2,3,3a,4,6,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-(dimethylamino)-2-(pyrrolidin-2-ylmethylamino)benzamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2C(C(=O)N(C2(C3=C(C=CC=C3Cl)Cl)C(C)(C)C)C(=O)O)C(CC4=CC=CC=C4)O

DOS

IR

Vibrations