Geometry & MOs

Info

ID:	36608
PubChem CID:	8009613
Reduced:	SN4O4C18H26 (1)
Stoich.:	AB4C4D18E26 (1)
Weight, g/mol:	426.202896
ΔH_f, kcal/mol:	-127.23
Dipole, Da:	5.65
IP(EA), eV:	-8.75(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)NCCC2=CC=C(C=C2)OC)C)S(=O)(=O)N(C)C

DOS

IR

Vibrations