Geometry & MOs

Info

ID:	37130
PubChem CID:	8017260
Reduced:	SN2O2C16H16 (1)
Stoich.:	AB2C2D16E16 (1)
Weight, g/mol:	390.107185
ΔH_f, kcal/mol:	-9.59
Dipole, Da:	4.12
IP(EA), eV:	-8.16(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-methoxyphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCNC(=S)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC

DOS

IR

Vibrations