Geometry & MOs

Info

ID:	379134
PubChem CID:	134353689
Reduced:	SN7O8C44H49 (1)
Stoich.:	AB7C8D44E49 (1)
Weight, g/mol:	233.116427
ΔH_f, kcal/mol:	-200.18
Dipole, Da:	4.46
IP(EA), eV:	-8.57(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-amino-4-methylimino-5-phenoxypent-2-enamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C(=O)N[C@@H](CC3=CC=C(C=C3)OCCN4C=C(COC5=CC=CC=C5C(=O)N1)N=N4)C(=O)OC)CC6=CSC7=CC=CC=C76

DOS

IR

Vibrations