Geometry & MOs

Info

ID:	141192
PubChem CID:	52834572
Reduced:	BrNOC18H24 (1)
Stoich.:	ABCD18E24 (1)
Weight, g/mol:	417.0688
ΔH_f, kcal/mol:	-40.1
Dipole, Da:	2.83
IP(EA), eV:	-9.65(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[(2S)-2-but-3-enoxypropanoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C)NC(=O)[C@@H]2C[C@H]2C3=CC(=CC=C3)Br

DOS

IR

Vibrations