Geometry & MOs

Info

ID:	243848
PubChem CID:	99289370
Reduced:	S2N3O5C18H25 (1)
Stoich.:	A2B3C5D18E25 (1)
Weight, g/mol:	435.219178
ΔH_f, kcal/mol:	-166.8
Dipole, Da:	7.0
IP(EA), eV:	-9.26(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-4-methoxy-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)C4CC4

DOS

IR

Vibrations