Geometry & MOs

Info

ID:	168674
PubChem CID:	75000507
Reduced:	NO8C29H53 (1)
Stoich.:	AB8C29D53 (1)
Weight, g/mol:	575.237998
ΔH_f, kcal/mol:	-166.59
Dipole, Da:	8.02
IP(EA), eV:	-6.41(-2.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-carboxybutylamino)-2-[[4-[(2-methyl-4-oxo-6H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCC1C(=O)NCC(C(C(C(C(CC=CCCCCCCCCCCCCCCC(=O)O1)O)O)O)O)O

DOS

IR

Vibrations