Geometry & MOs

Info

ID:	336174
PubChem CID:	127255181
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	355.175673
ΔH_f, kcal/mol:	-110.75
Dipole, Da:	1.31
IP(EA), eV:	-9.34(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-N-[2-(4-oxoquinazolin-3-yl)ethyl]-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

COCCCNC(=O)CN1C2C3=CC=CC=C3C(=O)N2C4=CC=CC=C4C1=O

DOS

IR

Vibrations