Geometry & MOs

Info

ID:	381119
PubChem CID:	134971767
Reduced:	N4O4C39H64 (1)
Stoich.:	A4B4C39D64 (1)
Weight, g/mol:	250.052447
ΔH_f, kcal/mol:	-263.36
Dipole, Da:	1.11
IP(EA), eV:	-8.86(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-azido-3-(4-methylsulfanylpyridin-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H](CC1=CC=C(C=C1)C)C(=O)N2CCC(CC2)CN(C3CCC(CC3)CC4CCC(CC4)NC)C(=O)OC(C)(C)C

DOS

IR

Vibrations