Geometry & MOs

Info

ID:	436401
PubChem CID:	135199877
Reduced:	N8O11C33H42 (1)
Stoich.:	A8B11C33D42 (1)
Weight, g/mol:	304.160935
ΔH_f, kcal/mol:	-422.34
Dipole, Da:	5.49
IP(EA), eV:	-9.96(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylsulfanylpiperazin-1-yl)-(1-phenylcyclopentyl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H](C(=O)N)NC(=O)CNC(=O)[C@@H]2CC(=O)CN2C(=O)CNC(=O)[C@H](CCC(=O)C(=O)NC3CC3)NC(=O)C4=C(C=NC=C4)C(=O)O

DOS

IR

Vibrations