Geometry & MOs

Info

ID:	74966
PubChem CID:	48422767
Reduced:	N3O5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	384.151907
ΔH_f, kcal/mol:	-165.21
Dipole, Da:	4.0
IP(EA), eV:	-9.04(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC(=O)NNC(=O)C(CC2=CC=CC=C2)NC(=O)OC)C

DOS

IR

Vibrations