Geometry & MOs

Info

ID:	139488
PubChem CID:	52540785
Reduced:	N3O4C25H25 (1)
Stoich.:	A3B4C25D25 (1)
Weight, g/mol:	415.161286
ΔH_f, kcal/mol:	-81.81
Dipole, Da:	2.27
IP(EA), eV:	-8.8(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)C(=C(C)N)C(=O)C)CC3=CC=CC=C3

DOS

IR

Vibrations