Geometry & MOs

Info

ID:	173799
PubChem CID:	75684920
Reduced:	O2N3C25H30 (1)
Stoich.:	A2B3C25D30 (1)
Weight, g/mol:	366.063405
ΔH_f, kcal/mol:	-40.55
Dipole, Da:	13.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755118
Charge, e:	-2

Chem-info

IUPAC name:

2-[[4-[(5-methyl-1,2-oxazol-3-yl)azanidylsulfonyl]phenyl]carbamoylamino]propanoate

Drug info:

PubChemData

Smile

CC[NH+]1CCCC1CNC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=C(C=CC=C4C)C

DOS

IR

Vibrations