Geometry & MOs

Info

ID:	74932
PubChem CID:	48422711
Reduced:	BrN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	376.04226
ΔH_f, kcal/mol:	-87.76
Dipole, Da:	4.31
IP(EA), eV:	-8.96(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(3-bromoanilino)-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations