Geometry & MOs

Info

ID:	234555
PubChem CID:	92298682
Reduced:	SO3N4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	406.175339
ΔH_f, kcal/mol:	-32.42
Dipole, Da:	8.22
IP(EA), eV:	-9.07(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(2,5-dimethoxyphenyl)-5-methyl-N-(4-methylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=N[C@@H](C(=O)N3C(=S)N2)CCC(=O)NCC4=CC=CO4

DOS

IR

Vibrations