Geometry & MOs

Info

ID:	195397
PubChem CID:	78681951
Reduced:	NO6H21C22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	420.091056
ΔH_f, kcal/mol:	-173.0
Dipole, Da:	5.26
IP(EA), eV:	-9.15(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-acetamido-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)NC(=CC1=CC=CC=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations