Geometry & MOs

Info

ID:	32873
PubChem CID:	7849040
Reduced:	FSN3O6C16H22 (1)
Stoich.:	ABC3D6E16F22 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	-292.8
Dipole, Da:	3.45
IP(EA), eV:	-10.03(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1S)-1-cyanoethyl]sulfanyl-3-[(2R)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)NC(=O)COC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)F

DOS

IR

Vibrations