Geometry & MOs

Info

ID:	447446
PubChem CID:	135282946
Reduced:	SO3N6H28C29 (1)
Stoich.:	AB3C6D28E29 (1)
Weight, g/mol:	369.09396
ΔH_f, kcal/mol:	0.03
Dipole, Da:	7.7
IP(EA), eV:	-8.16(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-5-(4-bromo-2-cyclopropylphenoxy)-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(=C)C(=O)NCCOC(=O)NCC1=CC=C(C=C1)CN2C3=C(C(=NC4=CC=CC=C43)N)N=C2C5=CC=CS5

DOS

IR

Vibrations