Geometry & MOs

Info

ID:	244758
PubChem CID:	99381429
Reduced:	ClO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	415.133255
ΔH_f, kcal/mol:	-57.61
Dipole, Da:	4.46
IP(EA), eV:	-9.04(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[(2R)-2-propylsulfonylpropanoyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)C(=O)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations