Geometry & MOs

Info

ID:	445929
PubChem CID:	135269950
Reduced:	O2S2N5C22H23 (1)
Stoich.:	A2B2C5D22E23 (1)
Weight, g/mol:	288.04734
ΔH_f, kcal/mol:	71.69
Dipole, Da:	2.31
IP(EA), eV:	-8.49(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-amino-2-(1-bromoethylideneamino)-5-methylidenehept-2-enoate

Drug info:

PubChemData

Smile

CC1=NC=C(N=C1C2=NN=C(O2)C3=CC=C(S3)CNC)C4=CC=C(C=C4)S(=O)C(C)C

DOS

IR

Vibrations