Geometry & MOs

Info

ID:	61781
PubChem CID:	26712906
Reduced:	BrN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	431.08445
ΔH_f, kcal/mol:	-104.17
Dipole, Da:	9.29
IP(EA), eV:	-8.7(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C[C@@H](C2=CC=CC=C2)NC(=O)C

DOS

IR

Vibrations