Geometry & MOs

Info

ID:	189113
PubChem CID:	77818949
Reduced:	N3O3C14H29 (1)
Stoich.:	A3B3C14D29 (1)
Weight, g/mol:	708.334542
ΔH_f, kcal/mol:	-174.8
Dipole, Da:	4.03
IP(EA), eV:	-9.18(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-benzyl-4-[1-[3-[(4-methylsulfinylphenyl)methyl]-2-oxocycloheptyl]-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1(CCCCOC1)N)CN

DOS

IR

Vibrations