Geometry & MOs

Info

ID:	175640
PubChem CID:	75929686
Reduced:	SN2O2C10H13 (2)
Stoich.:	AB2C2D10E13 (2)
Weight, g/mol:	409.126026
ΔH_f, kcal/mol:	-133.49
Dipole, Da:	5.99
IP(EA), eV:	-8.98(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoylamino]-N-(5-methylpyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C

DOS

IR

Vibrations