Geometry & MOs

Info

ID:	33279
PubChem CID:	7885801
Reduced:	N3O5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	418.113333
ΔH_f, kcal/mol:	-100.04
Dipole, Da:	4.11
IP(EA), eV:	-9.16(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylcarbamoyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=NC(=NO2)C3=CC=CC=C3

DOS

IR

Vibrations