Geometry & MOs

Info

ID:	138273
PubChem CID:	52337485
Reduced:	SN2O4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	393.143704
ΔH_f, kcal/mol:	-82.43
Dipole, Da:	6.16
IP(EA), eV:	-8.49(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (6R,7S)-6-(3,4-dimethoxyphenyl)-7-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=NC(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations