Geometry & MOs

Info

ID:	406369
PubChem CID:	135077386
Reduced:	SN4O9H34C41 (1)
Stoich.:	AB4C9D34E41 (1)
Weight, g/mol:	295.120843
ΔH_f, kcal/mol:	-201.67
Dipole, Da:	6.55
IP(EA), eV:	-9.0(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-phenyl-2-[(2-phenylacetyl)amino]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NC2=C(N=C(N=C2OCC3=CC=CC=C3)SC)N(C1=O)C4[C@@H]([C@@H]([C@H](O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

DOS

IR

Vibrations