Geometry & MOs

Info

ID:	419516
PubChem CID:	135108336
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-126.86
Dipole, Da:	5.06
IP(EA), eV:	-8.78(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-benzoxepine-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C=C1C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C

DOS

IR

Vibrations