Geometry & MOs

Info

ID:	154792
PubChem CID:	56314317
Reduced:	BrN2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	430.192629
ΔH_f, kcal/mol:	-45.95
Dipole, Da:	5.76
IP(EA), eV:	-9.2(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-morpholin-4-ylsulfonyl-N-(3-phenylbutyl)benzamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(O2)Br)C3=CC=CC=C3

DOS

IR

Vibrations