Geometry & MOs

Info

ID:	347775
PubChem CID:	127272837
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	370.14749
ΔH_f, kcal/mol:	-164.23
Dipole, Da:	3.73
IP(EA), eV:	-8.28(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-fluoropyridin-3-yl)sulfonyl-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)CC(=O)N3CC(CC(C3)C)C

DOS

IR

Vibrations