Geometry & MOs

Info

ID:	310236
PubChem CID:	126577105
Reduced:	S2O3N4C28H30 (1)
Stoich.:	A2B3C4D28E30 (1)
Weight, g/mol:	474.175933
ΔH_f, kcal/mol:	-46.35
Dipole, Da:	3.9
IP(EA), eV:	-8.62(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(2-morpholin-4-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)SC(=C2CNC(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OCC)N5C=CC=C5

DOS

IR

Vibrations