Geometry & MOs

Info

ID:	142384
PubChem CID:	53026155
Reduced:	FO3N4H25C28 (1)
Stoich.:	AB3C4D25E28 (1)
Weight, g/mol:	488.165997
ΔH_f, kcal/mol:	-78.99
Dipole, Da:	6.49
IP(EA), eV:	-8.59(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CN2C3=C(C=C(C=C3)F)C4=C2C(=O)N(C=N4)CC5=CC=C(C=C5)OC

DOS

IR

Vibrations