Geometry & MOs

Info

ID:	346221
PubChem CID:	127270712
Reduced:	SN4O4C18H26 (1)
Stoich.:	AB4C4D18E26 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-157.06
Dipole, Da:	5.51
IP(EA), eV:	-9.3(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N3CCCN(CC3)C(=O)N

DOS

IR

Vibrations