Geometry & MOs

Info

ID:	74725
PubChem CID:	48422363
Reduced:	NSO4C22H29 (1)
Stoich.:	ABC4D22E29 (1)
Weight, g/mol:	364.199822
ΔH_f, kcal/mol:	-101.06
Dipole, Da:	5.19
IP(EA), eV:	-8.74(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[[2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]heptanoate

Drug info:

PubChemData

Smile

CCN(CC1=CC(=C(C=C1)OCC2=CC=CS2)OC)C(=O)C(C)OCC3CC3

DOS

IR

Vibrations