Geometry & MOs

Info

ID:	237180
PubChem CID:	92717772
Reduced:	ClO2N6C25H25 (1)
Stoich.:	AB2C6D25E25 (1)
Weight, g/mol:	454.078777
ΔH_f, kcal/mol:	48.14
Dipole, Da:	9.86
IP(EA), eV:	-9.05(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCC[C@@H](C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC(=CC=C5)Cl

DOS

IR

Vibrations