Geometry & MOs

Info

ID:	62099
PubChem CID:	26717577
Reduced:	FNSO6C18H18 (1)
Stoich.:	ABCD6E18F18 (1)
Weight, g/mol:	396.027977
ΔH_f, kcal/mol:	-242.59
Dipole, Da:	6.27
IP(EA), eV:	-9.73(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(1R)-1-(3,4-dichlorophenyl)ethyl]carbamoyl]-5-nitrobenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations