Geometry & MOs

Info

ID:	349591
PubChem CID:	127275743
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	-157.35
Dipole, Da:	1.69
IP(EA), eV:	-9.48(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations