Geometry & MOs

Info

ID:	237644
PubChem CID:	92720124
Reduced:	NO2C14H17 (2)
Stoich.:	AB2C14D17 (2)
Weight, g/mol:	491.151492
ΔH_f, kcal/mol:	-140.62
Dipole, Da:	2.08
IP(EA), eV:	-9.45(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(furan-2-ylmethyl)-2-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NC(=O)[C@@H](C)OC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations