Geometry & MOs

Info

ID:	364704
PubChem CID:	127316004
Reduced:	SO2N3C18H33 (1)
Stoich.:	AB2C3D18E33 (1)
Weight, g/mol:	387.172896
ΔH_f, kcal/mol:	-125.81
Dipole, Da:	4.86
IP(EA), eV:	-8.85(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CCC1CCCCN1CCNC(=O)C2CSCN2C(=O)C(C)(C)C

DOS

IR

Vibrations