Geometry & MOs

Info

ID:	142383
PubChem CID:	53026154
Reduced:	ClFO3N4H20C26 (1)
Stoich.:	ABC3D4E20F26 (1)
Weight, g/mol:	484.191069
ΔH_f, kcal/mol:	-70.38
Dipole, Da:	5.11
IP(EA), eV:	-8.76(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=NC3=C(C2=O)N(C4=C3C=C(C=C4)F)CC(=O)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations