Geometry & MOs

Info

ID:	135381
PubChem CID:	51863632
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	442.078777
ΔH_f, kcal/mol:	-141.88
Dipole, Da:	1.95
IP(EA), eV:	-9.22(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=C(C=C1)C)NC(=O)CN2C(=O)C(NC2=O)(CC)CC

DOS

IR

Vibrations