Geometry & MOs

Info

ID:	38106
PubChem CID:	8027045
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	357.114713
ΔH_f, kcal/mol:	-77.69
Dipole, Da:	8.27
IP(EA), eV:	-9.1(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-2-thiophen-2-ylacetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)C=C(S2)C(=O)N(CCOC)CC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations