Geometry & MOs

Info

ID:	123120
PubChem CID:	50834599
Reduced:	N2O2C13H15 (2)
Stoich.:	A2B2C13D15 (2)
Weight, g/mol:	458.122418
ΔH_f, kcal/mol:	-128.33
Dipole, Da:	3.49
IP(EA), eV:	-9.08(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-difluorophenyl)-2-(3-ethyl-8-methoxy-5-methyl-4-oxopyrimido[5,4-b]indol-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C2=NC(=O)N(C3=CC=CC=C32)CC(=O)NCC4=CC=C(C=C4)C

DOS

IR

Vibrations