Geometry & MOs

Info

ID:	156347
PubChem CID:	56370220
Reduced:	O2S2N4C23H32 (1)
Stoich.:	A2B2C4D23E32 (1)
Weight, g/mol:	439.229348
ΔH_f, kcal/mol:	-73.94
Dipole, Da:	4.23
IP(EA), eV:	-8.76(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-2-[2-oxo-2-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]ethyl]sulfanylacetamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CCC(C2)NC(=O)CSCC3=NC4=C(C5=C(S4)CCC5)C(=O)N3

DOS

IR

Vibrations