Geometry & MOs

Info

ID:	75666
PubChem CID:	48423818
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	380.10062
ΔH_f, kcal/mol:	-95.06
Dipole, Da:	3.72
IP(EA), eV:	-8.44(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=CN=C(C=C2)N3CCCCCC3

DOS

IR

Vibrations