Geometry & MOs

Info

ID:	173656
PubChem CID:	75666895
Reduced:	N2O5C17H20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-86.53
Dipole, Da:	7.82
IP(EA), eV:	-9.34(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-methyl-4-oxo-N-(1-phenylethyl)-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CCC1)C(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

DOS

IR

Vibrations