Geometry & MOs

Info

ID:	32864
PubChem CID:	7848995
Reduced:	SN3O5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	407.151492
ΔH_f, kcal/mol:	-204.71
Dipole, Da:	5.24
IP(EA), eV:	-9.07(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-3-[(2R)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C[C@H](C)O

DOS

IR

Vibrations