Geometry & MOs

Info

ID:	67452
PubChem CID:	46506503
Reduced:	N3O4H19C26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	451.192963
ΔH_f, kcal/mol:	18.95
Dipole, Da:	4.93
IP(EA), eV:	-8.91(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-benzylpiperidine-1-carbothioyl)amino]-5-methoxy-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)N=C2C(=CC3=CC=CC=C3O2)C4=NC(=NO4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations