Geometry & MOs

Info

ID:	349614
PubChem CID:	127275766
Reduced:	SN3O4C13H25 (1)
Stoich.:	AB3C4D13E25 (1)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-191.77
Dipole, Da:	4.18
IP(EA), eV:	-9.44(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(oxan-2-ylmethyl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2CCCN(C2)S(=O)(=O)C

DOS

IR

Vibrations