Geometry & MOs

Info

ID:	179479
PubChem CID:	76488862
Reduced:	ClO4C22H29 (1)
Stoich.:	AB4C22D29 (1)
Weight, g/mol:	533.288971
ΔH_f, kcal/mol:	-180.63
Dipole, Da:	5.99
IP(EA), eV:	-9.1(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2-hydroxy-4-phenylbutyl)-[(4-methylphenyl)methyl]amino]-N-(phenylmethoxycarbonylamino)carbamate

Drug info:

PubChemData

Smile

CCCCC=C(C1CCCC1C(=O)CCCOC2=CC(=CC=C2)Cl)C(=O)O

DOS

IR

Vibrations