Geometry & MOs

Info

ID:	74737
PubChem CID:	48422377
Reduced:	N3O6C20H23 (1)
Stoich.:	A3B6C20D23 (1)
Weight, g/mol:	398.084491
ΔH_f, kcal/mol:	-179.29
Dipole, Da:	7.06
IP(EA), eV:	-8.81(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NNC(=O)C(CC2=CC=CC=C2)NC(=O)OC)OC

DOS

IR

Vibrations