Geometry & MOs

Info

ID:	268174
PubChem CID:	103598226
Reduced:	SN2O4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	367.128054
ΔH_f, kcal/mol:	-109.19
Dipole, Da:	3.53
IP(EA), eV:	-9.01(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=C(C=C2)C=CC(=O)N[C@@H](C)C(=O)OC

DOS

IR

Vibrations