Geometry & MOs

Info

ID:	131755
PubChem CID:	51258912
Reduced:	FOS2N4C16H21 (1)
Stoich.:	ABC2D4E16F21 (1)
Weight, g/mol:	349.157246
ΔH_f, kcal/mol:	-36.21
Dipole, Da:	5.52
IP(EA), eV:	-8.78(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)CSC1=NN=C(S1)NCC2=CC=C(C=C2)F

DOS

IR

Vibrations