Geometry & MOs

Info

ID:	185620
PubChem CID:	77321108
Reduced:	N5O6C34H35 (1)
Stoich.:	A5B6C34D35 (1)
Weight, g/mol:	519.240307
ΔH_f, kcal/mol:	-152.05
Dipole, Da:	3.81
IP(EA), eV:	-8.98(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-5-(oxolan-2-yl)-1-phenylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=NN=C(O2)C(C(C(C)C)NC(=O)CN3C4=CC=CC=C4C=C(C3=O)NC(=O)OCC5=CC=CC=C5)O

DOS

IR

Vibrations