Geometry & MOs

Info

ID:	135454
PubChem CID:	51873426
Reduced:	SN2O4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	428.125133
ΔH_f, kcal/mol:	-167.68
Dipole, Da:	4.69
IP(EA), eV:	-9.54(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4,5-dimethoxy-N-[3-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]phenyl]benzamide

Drug info:

PubChemData

Smile

C[C@H]([C@H]1CCCO1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3CCCCC3

DOS

IR

Vibrations