Geometry & MOs

Info

ID:	55672
PubChem CID:	17395781
Reduced:	OSN2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	369.162332
ΔH_f, kcal/mol:	8.49
Dipole, Da:	3.16
IP(EA), eV:	-9.01(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CN(C(C2=C1SC=C2)C3=CC=CC=C3)CC(=O)N

DOS

IR

Vibrations