Geometry & MOs

Info

ID:	306986
PubChem CID:	125264567
Reduced:	OSN3C6H7 (2)
Stoich.:	ABC3D6E7 (2)
Weight, g/mol:	538.203862
ΔH_f, kcal/mol:	42.97
Dipole, Da:	8.45
IP(EA), eV:	-8.16(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylphenyl)-2-[2-[(2R)-2-methyl-2H-indol-3-yl]-2-oxoethyl]sulfanyl-4-oxo-N-propan-2-ylquinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCS[C@H]1NN=C(S1)NC(=O)C2=C3C(=CN(C2)C)C(=O)N=N3

DOS

IR

Vibrations