Geometry & MOs

Info

ID:	61170
PubChem CID:	26706577
Reduced:	BrN3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	384.12407
ΔH_f, kcal/mol:	-129.68
Dipole, Da:	4.22
IP(EA), eV:	-9.03(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=CC=CC=C1NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations