Geometry & MOs

Info

ID:	44283
PubChem CID:	10502494
Reduced:	NPO5C22H36 (1)
Stoich.:	ABC5D22E36 (1)
Weight, g/mol:	425.187209
ΔH_f, kcal/mol:	-306.28
Dipole, Da:	2.84
IP(EA), eV:	-8.87(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl (2S)-2-[(4-methoxyphenyl)sulfanylcarbonylamino]pentanedioate

Drug info:

PubChemData

Smile

CCCCCC/C=C\CCCCCCCC(=O)NC1=CC=C(C=C1)OP(=O)(O)O

DOS

IR

Vibrations