Geometry & MOs

Info

ID:	188839
PubChem CID:	77772905
Reduced:	O2N3C27H37 (1)
Stoich.:	A2B3C27D37 (1)
Weight, g/mol:	533.201814
ΔH_f, kcal/mol:	-66.55
Dipole, Da:	3.82
IP(EA), eV:	-8.25(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[3-(1,3-benzothiazol-6-ylsulfonyl)-2-hydroxy-2-methylpropyl]amino]-N-(1-phenylbutan-2-yl)carbamate

Drug info:

PubChemData

Smile

CC1CCCC(N1)(C)CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC(=CC=C4)NC

DOS

IR

Vibrations