Geometry & MOs

Info

ID:	126537
PubChem CID:	50967495
Reduced:	N2O7C18H20 (1)
Stoich.:	A2B7C18D20 (1)
Weight, g/mol:	388.168145
ΔH_f, kcal/mol:	-264.25
Dipole, Da:	2.94
IP(EA), eV:	-9.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC(=CC=C3)C(=O)OC)(CO)C(=O)OC

DOS

IR

Vibrations