Geometry & MOs

Info

ID:	195639
PubChem CID:	78713054
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	377.108565
ΔH_f, kcal/mol:	-113.93
Dipole, Da:	1.85
IP(EA), eV:	-8.84(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(benzylamino)-2-oxoethyl] 3-(5-phenylthiophen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC(=O)NC(C)C(C)C

DOS

IR

Vibrations