Geometry & MOs

Info

ID:	188278
PubChem CID:	77692474
Reduced:	N4O5C27H34 (1)
Stoich.:	A4B5C27D34 (1)
Weight, g/mol:	430.22162
ΔH_f, kcal/mol:	-161.2
Dipole, Da:	4.78
IP(EA), eV:	-8.93(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(3-aminoprop-1-enyl)-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl]-2-(phenylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CN=CC=C3)CCCCC(=O)NC(=O)C(C(CO)O)O

DOS

IR

Vibrations