Geometry & MOs

Info

ID:	37706
PubChem CID:	8023458
Reduced:	ClOSN4H11C14 (1)
Stoich.:	ABCD4E11F14 (1)
Weight, g/mol:	382.192629
ΔH_f, kcal/mol:	57.29
Dipole, Da:	1.21
IP(EA), eV:	-9.28(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-heptan-2-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)NC(=O)CC2=CSC=C2)N3C=NC=N3

DOS

IR

Vibrations