Geometry & MOs

Info

ID:	55764
PubChem CID:	17396468
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	-164.33
Dipole, Da:	5.77
IP(EA), eV:	-9.72(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NCCOC)C

DOS

IR

Vibrations