Geometry & MOs

Info

ID:	349211
PubChem CID:	127274937
Reduced:	SN2O5C15H24 (1)
Stoich.:	AB2C5D15E24 (1)
Weight, g/mol:	254.163043
ΔH_f, kcal/mol:	-227.66
Dipole, Da:	7.11
IP(EA), eV:	-9.78(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methyl-1,4-oxazepane-4-carbonyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2CC(=O)N(C2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations