Geometry & MOs

Info

ID:	33576
PubChem CID:	7887045
Reduced:	ClOS2N3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	412.109293
ΔH_f, kcal/mol:	27.83
Dipole, Da:	4.7
IP(EA), eV:	-8.94(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations