Geometry & MOs

Info

ID:	348871
PubChem CID:	127274519
Reduced:	NSO2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	298.146347
ΔH_f, kcal/mol:	-74.22
Dipole, Da:	3.47
IP(EA), eV:	-8.53(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-1,4-oxazepan-4-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2CC3=CC=CC=C3S2

DOS

IR

Vibrations