Geometry & MOs

Info

ID:	238517
PubChem CID:	92741708
Reduced:	O4N5C27H39 (1)
Stoich.:	A4B5C27D39 (1)
Weight, g/mol:	480.23727
ΔH_f, kcal/mol:	-156.01
Dipole, Da:	5.93
IP(EA), eV:	-7.76(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-10-acetamido-2-(furan-2-ylmethyl)-8-methoxy-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C2C(=O)N([C@@](CN2C3=C1C=C(C=C3)OC)(C)C(=O)NC4CCCCCC4)CCN(C)C

DOS

IR

Vibrations