Geometry & MOs

Info

ID:	80778
PubChem CID:	49836686
Reduced:	N3O4C26H33 (1)
Stoich.:	A3B4C26D33 (1)
Weight, g/mol:	791.38354
ΔH_f, kcal/mol:	-159.55
Dipole, Da:	7.0
IP(EA), eV:	-9.45(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-hydroxy-3,3-bis(1-tritylimidazol-4-yl)propyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC[C@H](C(C)C)NC(=O)[C@H]2CCCN2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations