Geometry & MOs

Info

ID:	54592
PubChem CID:	17388955
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	411.128649
ΔH_f, kcal/mol:	-65.78
Dipole, Da:	4.27
IP(EA), eV:	-8.95(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(morpholin-4-ylamino)-2-sulfanylideneacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=O)N1CCCNCC2=CC=CC=C2)C

DOS

IR

Vibrations