Geometry & MOs

Info

ID:	33520
PubChem CID:	7886805
Reduced:	OS2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	407.159354
ΔH_f, kcal/mol:	-28.28
Dipole, Da:	1.65
IP(EA), eV:	-8.78(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=NC5=C4C6=C(S5)CCC6

DOS

IR

Vibrations