Geometry & MOs

Info

ID:	176635
PubChem CID:	76076112
Reduced:	NO6C12H21 (1)
Stoich.:	AB6C12D21 (1)
Weight, g/mol:	389.06603
ΔH_f, kcal/mol:	-282.49
Dipole, Da:	3.84
IP(EA), eV:	-9.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-bromophenyl)methylamino]-3-(3-hydroxypropylsulfanyl)-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC(=O)C(C)OC(=O)C(C)O)N

DOS

IR

Vibrations