Geometry & MOs

Info

ID:	162450
PubChem CID:	57394702
Reduced:	O2N3C11H12 (2)
Stoich.:	A2B3C11D12 (2)
Weight, g/mol:	390.141342
ΔH_f, kcal/mol:	-17.11
Dipole, Da:	5.15
IP(EA), eV:	-8.36(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyclopropylphenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC3=NN=C(O3)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations