Geometry & MOs

Info

ID:	32410
PubChem CID:	7790631
Reduced:	SN2O4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	336.132136
ΔH_f, kcal/mol:	-135.34
Dipole, Da:	6.29
IP(EA), eV:	-8.76(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] (E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NC[C@@H]3CCCO3)C

DOS

IR

Vibrations