Geometry & MOs

Info

ID:	133121
PubChem CID:	51479550
Reduced:	N2O7H14C17 (1)
Stoich.:	A2B7C14D17 (1)
Weight, g/mol:	474.076469
ΔH_f, kcal/mol:	-153.02
Dipole, Da:	9.69
IP(EA), eV:	-9.66(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanyl-3-[(2-chlorophenyl)methyl]-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations