Geometry & MOs

Info

ID:	179414
PubChem CID:	76479642
Reduced:	IO2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	637.249158
ΔH_f, kcal/mol:	-79.35
Dipole, Da:	5.12
IP(EA), eV:	-8.7(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-(pyrrolidin-2-ylmethylsulfonyl)propanamide

Drug info:

PubChemData

Smile

CCC1CC2(C(CCC2(C=CI)O)C3C1C4=C(CC3)C=C(C=C4)O)C

DOS

IR

Vibrations