Geometry & MOs

Info

ID:	402060
PubChem CID:	135054107
Reduced:	S3N5O7C25H25 (1)
Stoich.:	A3B5C7D25E25 (1)
Weight, g/mol:	301.204179
ΔH_f, kcal/mol:	-142.56
Dipole, Da:	14.03
IP(EA), eV:	-9.4(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-4-methyl-2-phenyl-5-propyl-2,3-dihydropyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CCN=[N+]=[N-])N2C(=O)C3=CC=CC=C3S2(=O)=O)S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations