Geometry & MOs

Info

ID:	357901
PubChem CID:	127295401
Reduced:	FO2N3C22H32 (1)
Stoich.:	AB2C3D22E32 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-142.15
Dipole, Da:	6.79
IP(EA), eV:	-8.98(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(4-methylsulfanylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)N2CCCN(CC2)C(=O)CC3CCCC3)F

DOS

IR

Vibrations