Geometry & MOs

Info

ID:	131508
PubChem CID:	51215489
Reduced:	OSN5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	353.083413
ΔH_f, kcal/mol:	71.27
Dipole, Da:	3.76
IP(EA), eV:	-9.16(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

DOS

IR

Vibrations