Geometry & MOs

Info

ID:	26389
PubChem CID:	646044
Reduced:	FO3N4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	488.253589
ΔH_f, kcal/mol:	-153.31
Dipole, Da:	5.49
IP(EA), eV:	-9.52(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-(2-methylbutan-2-yl)-2-(1-methylpyrrol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CN(CC2=CC=C(C=C2)F)C(=O)CCCC(=O)NC3=CC=CC=N3

DOS

IR

Vibrations