Geometry & MOs

Info

ID:	234585
PubChem CID:	92303116
Reduced:	OSN2C24H30 (1)
Stoich.:	ABC2D24E30 (1)
Weight, g/mol:	391.16444
ΔH_f, kcal/mol:	-22.89
Dipole, Da:	4.2
IP(EA), eV:	-8.31(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7R)-5-methyl-7-(3-phenylmethoxyphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(C)[C@@H]1CCC2=C(C1)SC3=C2C(=O)N[C@@H](N3)/C(=C\C4=CC=CC=C4)/C

DOS

IR

Vibrations