Geometry & MOs

Info

ID:	185116
PubChem CID:	77256101
Reduced:	ClO3N6C26H33 (1)
Stoich.:	AB3C6D26E33 (1)
Weight, g/mol:	463.283492
ΔH_f, kcal/mol:	-62.13
Dipole, Da:	1.76
IP(EA), eV:	-8.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-amino-7-[5-phenyl-1-(phenylmethoxymethyl)imidazol-2-yl]heptanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC2=C1CCC(CC2)NCCO)NC3=NC=C(C(=N3)NC4C5CC(C4C(=O)N)C=C5)Cl

DOS

IR

Vibrations