Geometry & MOs

Info

ID:	190209
PubChem CID:	77968758
Reduced:	SN4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	581.17505
ΔH_f, kcal/mol:	70.99
Dipole, Da:	3.88
IP(EA), eV:	-8.21(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-[[tert-butyl(methyl)carbamoyl]amino]phenyl]-4-hydroxybutan-2-yl]-3-iodo-4-propoxybenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC2=CC=CC3=C2NC(=C3)C4=NC(CS4)CC#N

DOS

IR

Vibrations