Geometry & MOs

Info

ID:	185228
PubChem CID:	77272606
Reduced:	SN3O7C26H39 (1)
Stoich.:	AB3C7D26E39 (1)
Weight, g/mol:	520.362471
ΔH_f, kcal/mol:	-312.09
Dipole, Da:	2.56
IP(EA), eV:	-9.34(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-2-(4-methylpiperazine-1-carbonyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(=O)N(C3CCCN(C3)C(=O)O)C(C)C)N(C(=O)C(S2(=O)=O)(C)C)CCCCOC

DOS

IR

Vibrations