Geometry & MOs

Info

ID:	307391
PubChem CID:	125299764
Reduced:	ClFOSN3H19C22 (1)
Stoich.:	ABCDE3F19G22 (1)
Weight, g/mol:	491.220036
ΔH_f, kcal/mol:	23.3
Dipole, Da:	5.07
IP(EA), eV:	-9.41(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[4-[(3S)-3-amino-3H-indazol-6-yl]-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCCN1[C@@H](N=C2C(=CN=C2C1=O)C3=CC=CC=C3)SCC4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations