Geometry & MOs

Info

ID:	378930
PubChem CID:	134228446
Reduced:	ClFO3N7C26H33 (1)
Stoich.:	ABC3D7E26F33 (1)
Weight, g/mol:	521.311438
ΔH_f, kcal/mol:	-124.28
Dipole, Da:	3.75
IP(EA), eV:	-8.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-[5-amino-4-carbamoyl-3-[3-methyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazol-1-yl]azocane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(CCC1)N2C(=C(C(=N2)C3=CN(N=C3)CC4=C(C=CC(=C4)F)Cl)C(=O)N)N

DOS

IR

Vibrations