Geometry & MOs

Info

ID:	77490
PubChem CID:	49648464
Reduced:	N2S2O3H18C20 (1)
Stoich.:	A2B2C3D18E20 (1)
Weight, g/mol:	356.119464
ΔH_f, kcal/mol:	-16.0
Dipole, Da:	3.26
IP(EA), eV:	-8.61(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isothiochromen-4-yl 3-(carbamoylamino)-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OC3CSCC4=CC=CC=C34

DOS

IR

Vibrations