Geometry & MOs

Info

ID:	61166
PubChem CID:	26706538
Reduced:	BrSN2O2C18H19 (1)
Stoich.:	ABC2D2E18F19 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-31.84
Dipole, Da:	3.24
IP(EA), eV:	-8.94(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC=C(S2)Br

DOS

IR

Vibrations