Geometry & MOs

Info

ID:	79503
PubChem CID:	49786890
Reduced:	O3N5H31C33 (1)
Stoich.:	A3B5C31D33 (1)
Weight, g/mol:	420.091056
ΔH_f, kcal/mol:	1.98
Dipole, Da:	1.21
IP(EA), eV:	-8.72(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)sulfonyl-2-methyl-1-(3-phenylpropanoyl)azetidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC(C2=CC=C(C=C2)C3=CC=CC=C3)C4=NC=CN=C4)CCN5C(=O)C6=CC=CC=C6C5=O

DOS

IR

Vibrations