Geometry & MOs

Info

ID:	277809
PubChem CID:	103831050
Reduced:	O2N3C9H19 (1)
Stoich.:	A2B3C9D19 (1)
Weight, g/mol:	309.151098
ΔH_f, kcal/mol:	-109.3
Dipole, Da:	1.18
IP(EA), eV:	-9.78(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]hexan-1-one

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NCC(=O)NC)N

DOS

IR

Vibrations