Geometry & MOs

Info

ID:	45194
PubChem CID:	10509030
Reduced:	S2N3H31C48 (1)
Stoich.:	A2B3C31D48 (1)
Weight, g/mol:	715.356263
ΔH_f, kcal/mol:	335.48
Dipole, Da:	4.02
IP(EA), eV:	-7.76(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-phenylmethoxy-N-trityl-3-(1-tritylimidazol-4-yl)propan-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C=CC(=C4C=CC(=N4)C(=C5C=CC(=C(C6=NC(=C(C7=CC=C2S7)C8=CC=CC=C8)C=C6)C9=CC=CC=C9)S5)C1=CC=CC=C1)N3

DOS

IR

Vibrations