Geometry & MOs

Info

ID:	237302
PubChem CID:	92718114
Reduced:	SN3O4C25H29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	497.117605
ΔH_f, kcal/mol:	-119.64
Dipole, Da:	7.37
IP(EA), eV:	-8.83(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-[(2R)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

C[C@@H](COC)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)C3=CC=C(C=C3)NC(=O)C(C)C

DOS

IR

Vibrations