Geometry & MOs

Info

ID:	404080
PubChem CID:	135064939
Reduced:	BrNSO3H24C28 (1)
Stoich.:	ABCD3E24F28 (1)
Weight, g/mol:	307.178358
ΔH_f, kcal/mol:	-20.55
Dipole, Da:	5.22
IP(EA), eV:	-9.25(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-3-methyl-4-oxo-1-phenylmethoxybutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2Br)[C@H](C3=CC=CC=C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations