Geometry & MOs

Info

ID:	336148
PubChem CID:	127255155
Reduced:	ClSO2N3H20C22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	366.216809
ΔH_f, kcal/mol:	-1.83
Dipole, Da:	6.83
IP(EA), eV:	-8.16(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-methylindol-3-yl)ethyl]-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2CCNC(=O)CC3=CSC(=N3)C4=CC=CC=C4Cl

DOS

IR

Vibrations