Geometry & MOs

Info

ID:	415948
PubChem CID:	135088950
Reduced:	SN2O4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	318.174356
ΔH_f, kcal/mol:	-181.86
Dipole, Da:	1.88
IP(EA), eV:	-8.66(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[4-(3-fluoro-2-methylbenzoyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)CN(C3=CC=CC(=C3)C)S(=O)(=O)C)O

DOS

IR

Vibrations