Geometry & MOs

Info

ID:	177082
PubChem CID:	76133139
Reduced:	NS2O4C6H11 (1)
Stoich.:	AB2C4D6E11 (1)
Weight, g/mol:	458.205301
ΔH_f, kcal/mol:	-167.88
Dipole, Da:	1.77
IP(EA), eV:	-9.42(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-methoxy-4-(methoxymethoxy)benzoyl]amino]-4-phenylmethoxyazepane-1-carboxylic acid

Drug info:

PubChemData

Smile

C(C(C(=O)OC(CS)C(=O)O)N)S

DOS

IR

Vibrations